SCHEMBL4081997

SCHEMBL4081997

CCc1cc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CACNA1B Q00975 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
AKT1 P31749 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4083109 0.90 KDM4E (0.37) KDM4EALDH1A1GAAMTNR1AMTNR1B
SCHEMBL3189598 0.85 KDM4E (0.41) KDM4EALDH1A1GAAMTNR1AMTNR1B
SCHEMBL4865232 0.78 MAPT (0.47) ALDH1A1GAACACNA1BNPC1MAPT
SCHEMBL10564385 0.78 KDM4E (0.42) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL28420950 0.74 MIF (0.46) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL12987017 0.74 MT-CO2 (0.38) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL31472213 0.74 MT-CO2 (0.38) KDM4ENPC1MAPTRAB9AAKT1
SCHEMBL14108121 0.73 RAB9A (0.41) NPC1MAPTRAB9AAKT1MEN1
SCHEMBL4199655 0.73 CA12 (0.38) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL10565579 0.73 AKT1 (0.49) ALDH1A1GAANPC1MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
EP-1778686-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS Pfizer Limited (GB) 2007-05-02 EP disclosed
WO-2006018718-A2 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LIMITED (GB) 2006-02-23 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 KDM4E 4693/4885ALDH1A1 2400/4885GAA 1650/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 KDM4E 4691/4885ALDH1A1 2388/4885GAA 1602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.